SCHEMBL7122486

SCHEMBL7122486

O=C(COc1ccc(CO)cc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 4/20 0.45
GAA P10253 2/20 0.45
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9059841 0.80 SMN1; SMN2 (0.47) L3MBTL1KMT2AATMTDP1PPARG
SCHEMBL5280082 0.80 MAPT (0.60) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL4267917 0.78 PTGS2 (0.55) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL25695882 0.78 L3MBTL1 (0.50) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL10586679 0.76 GAA (0.44) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL8321862 0.76 GAA (0.64) GAAPPARGPPARAKDM4ETRPM8
SCHEMBL1628333 0.74 MEN1 (0.51) MEN1KMT2APPARGPPARAKDM4E
SCHEMBL3203038 0.74 PTPN1 (0.52) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL9265258 0.74 PTGS2 (0.51) L3MBTL1MEN1KMT2ALMNANPC1
SCHEMBL16511563 0.74 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ALMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670329-B2 Isolated hybrid polypeptide XIAMEN BIOWAY BIOTECH CO., LTD. (CN) 2003-12-30 US disclosed
US-6355490-B1 CODING INDIVIDUAL MEMBERS OF LIBRARY; COVALENTLY BONDING NITRILE TO SOLID SUPPORT; DETECTION BY INFRARED OR RAMAN SPECTROSCOPY ABBOTT LABORATORIES 2002-03-12 US disclosed
US-6274385-B1 COVALENTLY ATTACHING TO EACH SOLID SUPPORT AT LEAST ONE ACETYLENE CODING IDENTIFIER DETECTABLE BY INFRARED OR RAMAN SPECTROSCOPY TO CODE INDIVIDUAL MEMBERS OF A COMBINATORIAL CHEMICAL LIBRARY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0879219-B1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LAB (US) 2000-03-01 EP disclosed
EP-0879219-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS Abbott Laboratories (US) 1998-11-25 EP disclosed
WO-1998011036-A9 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS 1998-07-09 WO disclosed
WO-1998011036-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LABORATORIES (US) 1998-03-19 WO disclosed
US-5726243-A Mild solid-phase synthesis of aligned, branched triple-helical peptides REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-03-10 US disclosed
US-5576419-A Mild solid-phase synthesis of aligned branched triple-helical peptides REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-11-19 US disclosed